Structure and phase transitions in a network-forming associating Lennard-Jones fluid in a slit-like pore: a density functional approach

1999 ◽  
Vol 97 (8) ◽  
pp. 919-930 ◽  
Author(s):  
Adrian Huerta, Stefan Sokolowski, Orest Pi
Keyword(s):  
Phase Transitions ◽  
Density Functional ◽  
Functional Approach ◽  
Lennard Jones

Influence of a small amount of tethered chains on wetting transitions: A density functional approach

2010 ◽  
Vol 75 (2) ◽  
pp. 221-241 ◽  
Author(s):  
Małgorzata Borówko ◽  
Andrzej Patrykiejew ◽  
Stefan Sokołowski ◽  
Tomasz Staszewski
Keyword(s):  
Density Functional ◽  
Functional Approach ◽  
Solid Surfaces ◽  
Wetting Transitions ◽  
Jones Potential ◽  
Lennard Jones ◽  
Layering Transitions ◽  
Gas Molecules ◽  
Surface Modified ◽  
Tethered Chains

A density functional approach to adsorption and phase behavior of a simple fluid from gas phase on a surface modified with a small amount of grafted chains is presented. The chains are modeled as freely jointed tangent spheres with end segments attached to the surface. The segments and gas molecules interact via the Lennard–Jones potential. We have found that the presence of preadsorbed chains considerably affects wettability of solid surfaces. An increase in the amount of grafted chains leads to a crossover between prewetting and layering transitions. This crossover occurs by merging of successive layering transitions.

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